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1,3,5-Cycloheptatriene

View entire compound with spectra: 43 NMR, 4 FTIR, 12 MS (GC), and 2 Near IR

1,3,5-Cycloheptatriene
SpectraBase Compound ID LpnXK4RjgHN
InChI InChI=1S/C7H8/c1-2-4-6-7-5-3-1/h1-6H,7H2
InChIKey CHVJITGCYZJHLR-UHFFFAOYSA-N
Mol Weight 92.14 g/mol
Molecular Formula C7H8
Exact Mass 92.0626 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B1SMipsMlvc
Name 1,3,5-Cycloheptatriene
CAS Registry Number 544-25-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H8
InChI InChI=1S/C7H8/c1-2-4-6-7-5-3-1/h1-6H,7H2
InChIKey CHVJITGCYZJHLR-UHFFFAOYSA-N
Molecular Weight 92.141 g/mol
SMILES C=1C=CCC=CC1
SPLASH splash10-0006-9000000000-36882eb55564c60b2b78
Synonyms Cyclohepta-1,3,5-triene Tropiliden Tropilidene Tropilidin Tropilidine Cycloheptatriene EINECS 208-866-3 UN2603
Wiley ID 1464777